3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole

C17H11Cl2NS — CID 80645382

IUPAC3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole
SMILESClc1ccsc1C(Cl)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H11Cl2NS/c18-13-7-8-21-17(13)16(19)10-5-6-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-9,16,20H
InChIKeyOFDCDCKYHCOFOK-UHFFFAOYSA-N
MW332.26 g/mol
LogP6.36
Rot. Bonds2

About 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole

3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole (PubChem CID 80645382) has the molecular formula C17H11Cl2NS and a molecular weight of 332.26 g/mol. Its IUPAC name is 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole.

Molecular Properties

Compound Name3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole
PubChem CID80645382
Molecular FormulaC17H11Cl2NS
Molecular Weight332.26 g/mol
Exact Mass331.00
IUPAC Name3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole
SMILESClc1ccsc1C(Cl)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H11Cl2NS/c18-13-7-8-21-17(13)16(19)10-5-6-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-9,16,20H
InChIKeyOFDCDCKYHCOFOK-UHFFFAOYSA-N
XLogP6.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.26
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene
CID 80641280
3-(1-chloro-2,2-difluoroethyl)-9H-carbazole
CID 103514419
(5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol
CID 107964141
3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole
CID 107964647
3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene
CID 80530382
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 81476818
6-[chloro-(3-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80530414
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
3-(1-chloro-2-cyclopentylethyl)-9H-carbazole
CID 63433864
3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole?
The IUPAC name of 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole (CID 80645382) is 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole.
What is the SMILES notation for 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole?
The canonical SMILES for 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole is Clc1ccsc1C(Cl)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole?
The InChIKey is OFDCDCKYHCOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NS/c18-13-7-8-21-17(13)16(19)10-5-6-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-9,16,20H.
What are the key properties of 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole?
3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole has a molecular weight of 332.26 g/mol, XLogP of 6.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole is sourced from PubChem (CID 80645382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).